Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | USP2 | O75604 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16433238 | 1.00 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9105747 | 0.88 | CYP1A2 (0.44) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9105754 | 0.88 | CYP1A2 (0.44) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9109338 | 0.88 | ADORA3 (0.46) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9288345 | 0.87 | CYP1A2 (0.44) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9288354 | 0.87 | CYP1A2 (0.44) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9288723 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9282034 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL15381405 | 0.85 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 | |
| SCHEMBL9287140 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP3A4CLK4CYP2C19ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027774-B1 | METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2020-07-15 | — | — | EP | disclosed |
| EP-3027774-A1 | METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION | Memorial Sloan Kettering Cancer Center (US) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015017863-A1 | METHODS FOR THE DETECTION AND TREATMENT OF LEUKEMIAS THAT ARE RESPONSIVE TO DOT1L INHIBITION | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2015-02-05 | — | — | WO | disclosed |